2-Cyano-N-(2,4-dichloro-5-methoxyphenyl)acetamide

C₁₀H₈Cl₂N₂O₂CAS 846023-24-3259.09 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₁₀H₈Cl₂N₂O₂
Molar mass: 259.09 g/mol
Exact mass: 257.9963 Da
Melting point: 180–181 °C
logP: 3.50Crippen estimate
Polar surface area: 65.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Identifiers

CAS number

846023-24-3

SMILES

COc1cc(N=C(O)CC#N)c(Cl)cc1Cl

InChIKey

RPWHAQJEZWBZGX-UHFFFAOYSA-N

InChI

InChI=1S/C10H8Cl2N2O2/c1-16-9-5-8(6(11)4-7(9)12)14-10(15)2-3-13/h4-5H,2H2,1H3,(H,14,15)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Acetamide, 2-cyano-N-(2,4-dichloro-5-methoxyphenyl)-
N-(2,4-Dichloro-5-methoxyphenyl)-2-cyanoacetamide

Work with 2-Cyano-N-(2,4-dichloro-5-methoxyphenyl)acetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-(4-Chloro-2,5-dimethoxyphenyl)-3-oxobutanamide4433-79-851 % similar 1,4-Dichloro-2,5-dimethoxybenzene2675-77-641 % similar 2-Chloro-N-(2-methoxyphenyl)acetamide55860-22-541 % similar N-(4-Chloro-2,5-dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide4273-92-140 % similar Methyl 4-acetamido-5-chloro-2-methoxybenzoate4093-31-639 % similar 2,4-Dichloro-5-methoxybenzenamine98446-49-239 % similar 3-Chloro-4-methoxybenzonitrile102151-33-738 % similar N-(5-Chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide92-72-837 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Dichloro-6,7-dimethoxyquinazoline27631-29-4

Elsewhere

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